SCHEMBL765172

SCHEMBL765172

Nc1ccccc1Oc1ccc(CNC(=O)C2(NC(=O)c3cncnc3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 5/20 0.58
MAPK14 Q16539 8/20 0.41
MAPK11 Q15759 1/20 0.41
CYP3A4 P08684 2/20 0.40
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
MMP13 P45452 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 2/20 0.38
CARM1 Q86X55 2/20 0.38
PRMT6 Q96LA8 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CNR1 P21554 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL764485 0.89 BDKRB1 (0.61) BDKRB1MAPK14MAPK11CYP3A4HTT
SCHEMBL764429 0.88 BDKRB1 (0.58) BDKRB1MAPK14CYP3A4HTTLMNA
SCHEMBL764458 0.88 BDKRB1 (0.64) BDKRB1MAPK14MAPK11CYP3A4LMNA
SCHEMBL764461 0.88 BDKRB1 (0.61) BDKRB1MAPK14CYP3A4HTTLMNA
SCHEMBL765553 0.88 BDKRB1 (0.58) BDKRB1MAPK14MAPK11CYP3A4HTT
SCHEMBL765538 0.88 BDKRB1 (0.58) BDKRB1MAPK14CYP3A4HTTLMNA
SCHEMBL764413 0.88 BDKRB1 (0.64) BDKRB1MAPK14MAPK11CYP3A4HTT
SCHEMBL10121331 0.87 BDKRB1 (0.60) BDKRB1MAPK14MAPK11CYP3A4HTT
SCHEMBL13904092 0.87 BDKRB1 (0.51) BDKRB1MAPK14MAPK11SMN1; SMN2CNR1
SCHEMBL12239067 0.87 BDKRB1 (0.60) BDKRB1MAPK14MAPK11CYP3A4HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188254-B1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-03-21 EP disclosed
WO-2009027450-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-05 WO disclosed